N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide

C17H10FN3O2S — CID 163367405

IUPACN-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3c(F)cccc3o2)cc1)c1nccs1
InChIInChI=1S/C17H10FN3O2S/c18-12-2-1-3-13-14(12)21-16(23-13)10-4-6-11(7-5-10)20-15(22)17-19-8-9-24-17/h1-9H,(H,20,22)
InChIKeyWBVUIDHSQFNNFL-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.34
Rot. Bonds3

About N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide

N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 163367405) has the molecular formula C17H10FN3O2S and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID163367405
Molecular FormulaC17H10FN3O2S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC NameN-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3c(F)cccc3o2)cc1)c1nccs1
InChIInChI=1S/C17H10FN3O2S/c18-12-2-1-3-13-14(12)21-16(23-13)10-4-6-11(7-5-10)20-15(22)17-19-8-9-24-17/h1-9H,(H,20,22)
InChIKeyWBVUIDHSQFNNFL-UHFFFAOYSA-N
XLogP4.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide (CID 163367405) is N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide is O=C(Nc1ccc(-c2nc3c(F)cccc3o2)cc1)c1nccs1.
What is the InChIKey of N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is WBVUIDHSQFNNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2S/c18-12-2-1-3-13-14(12)21-16(23-13)10-4-6-11(7-5-10)20-15(22)17-19-8-9-24-17/h1-9H,(H,20,22).
What are the key properties of N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide?
N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-1,3-benzoxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163367405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).